4-(azepan-1-yl)pyridin-2-amine

C11H17N3 — CID 21059926

IUPAC4-(azepan-1-yl)pyridin-2-amine
SMILESNc1cc(N2CCCCCC2)ccn1
InChIInChI=1S/C11H17N3/c12-11-9-10(5-6-13-11)14-7-3-1-2-4-8-14/h5-6,9H,1-4,7-8H2,(H2,12,13)
InChIKeyGYGJYJIQKGWXRP-UHFFFAOYSA-N
MW191.28 g/mol
LogP2.04
Rot. Bonds1

About 4-(azepan-1-yl)pyridin-2-amine

4-(azepan-1-yl)pyridin-2-amine (PubChem CID 21059926) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 4-(azepan-1-yl)pyridin-2-amine.

Molecular Properties

Compound Name4-(azepan-1-yl)pyridin-2-amine
PubChem CID21059926
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name4-(azepan-1-yl)pyridin-2-amine
SMILESNc1cc(N2CCCCCC2)ccn1
InChIInChI=1S/C11H17N3/c12-11-9-10(5-6-13-11)14-7-3-1-2-4-8-14/h5-6,9H,1-4,7-8H2,(H2,12,13)
InChIKeyGYGJYJIQKGWXRP-UHFFFAOYSA-N
XLogP2.04
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)pyridin-2-amine?
The IUPAC name of 4-(azepan-1-yl)pyridin-2-amine (CID 21059926) is 4-(azepan-1-yl)pyridin-2-amine.
What is the SMILES notation for 4-(azepan-1-yl)pyridin-2-amine?
The canonical SMILES for 4-(azepan-1-yl)pyridin-2-amine is Nc1cc(N2CCCCCC2)ccn1.
What is the InChIKey of 4-(azepan-1-yl)pyridin-2-amine?
The InChIKey is GYGJYJIQKGWXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c12-11-9-10(5-6-13-11)14-7-3-1-2-4-8-14/h5-6,9H,1-4,7-8H2,(H2,12,13).
What are the key properties of 4-(azepan-1-yl)pyridin-2-amine?
4-(azepan-1-yl)pyridin-2-amine has a molecular weight of 191.28 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)pyridin-2-amine is sourced from PubChem (CID 21059926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).